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Corilagin

CAT: 1596-AR-C05411-02Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-C05411-02Size:25 Units
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CAS Number
23094-69-1
Synonyms
Cyclic 3,6-[ (1R) -4,4',5,5',6,6'-hexahydroxy[1,1'-biphenyl]-2,2'-dicarboxylate] 1- (3,4,5-trihydroxybenzoate) -β-D-glucopyranose
Molecular Formula
C27H22O18
Molecular Weight
634.46
API Name
Corilagin

Chemical Information

Corilagin

Corilagin is an ellagitannin with a hexahydroxydiphenoyl group bridging over the 3-O and 6-O of the glucose core. It has a role as an antioxidant, an EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor, a non-steroidal anti-inflammatory drug and an antihypertensive agent. It is an ellagitannin and a gallate ester.

CAS Number23094-69-1
PubChem CID73568
IUPAC Name[(1S,19R,21S,22R,23R)-6,7,8,11,12,13,22,23-octahydroxy-3,16-dioxo-2,17,20-trioxatetracyclo[17.3.1.04,9.010,15]tricosa-4,6,8,10,12,14-hexaen-21-yl] 3,4,5-trihydroxybenzoate
Molecular FormulaC27H22O18
Molecular Weight634.5
XLogP0.1
Topological Polar Surface Area311
Hydrogen Bond Donor Count11
Hydrogen Bond Acceptor Count18
Rotatable Bond Count3
Heavy Atom Count45
Formal Charge0
Complexity1090
SMILES
C1[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC(=O)C3=CC(=C(C(=C3)O)O)O)O)OC(=O)C4=CC(=C(C(=C4C5=C(C(=C(C=C5C(=O)O1)O)O)O)O)O)O)O
InChI
InChI=1S/C27H22O18/c28-9-1-6(2-10(29)16(9)32)24(39)45-27-22(38)23-19(35)13(43-27)5-42-25(40)7-3-11(30)17(33)20(36)14(7)15-8(26(41)44-23)4-12(31)18(34)21(15)37/h1-4,13,19,22-23,27-38H,5H2/t13-,19-,22-,23+,27+/m1/s1
InChIKey
TUSDEZXZIZRFGC-XIGLUPEJSA-N
Chemical Structure
2D Structure
2D structure of Corilagin
CAS: 23094-69-1
CID: 73568
Formula: C27H22O18
MW: 634.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight634.5
XLogP30.1
Hydrogen Bond Donor Count11
Hydrogen Bond Acceptor Count18
Rotatable Bond Count3
Exact Mass634.08061385
Monoisotopic Mass634.08061385
Topological Polar Surface Area311 Ų
Heavy Atom Count45
Formal Charge0
Complexity1090
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
sc-211135Corilagin
A14732-100Corilagin 100mg
A14732-25Corilagin 25mg
A14732-5Corilagin 5mg
A14732-50Corilagin 50mg
HY-N0462R-01Corilagin (Standard)
A14732-10Corilagin 10mg

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